USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: O 2 HIS : no HE2:sc= -0.483 K(o=-3.6,f=-5.9) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.0877 X(o=-3.6,f=-3.9) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.75 K(o=-3.6,f=-5.7!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.137 K(o=-3.6,f=-6.1) USER MOD Set 1.5: S 2 HIS : no HE2:sc= -0.146 K(o=-3.6,f=-7.1) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.0628 X(o=-3.6,f=-3.5) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.14 K(o=-3.6,f=-4.7!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.00565 X(o=-3.6,f=-3.7) USER MOD Set 1.9: W 2 HIS : +bothHN:sc= -0.327 K(o=-3.6,f=-8.1) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.0988 X(o=-3.6,f=-3.5) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-3.6,f=-3.7) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.319 K(o=-3.6,f=-5.7) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.751 K(o=0.75,f=-0.66) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.588 K(o=0.75,f=-5.4!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.22 K(o=0.75,f=-9.2!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.0881 K(o=0.75,f=-8.7!) USER MOD Set 2.5: W 6 GLN : amide:sc= -0.199 K(o=0.75,f=-7.7!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.693 K(o=0.75,f=-8.3!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.838 K(o=0.76,f=-0.82) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.692 K(o=0.76,f=-5.3!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.0844 K(o=0.76,f=-8.8!) USER MOD Set 3.4: G 6 GLN : amide:sc= -0.0877 K(o=0.76,f=-8.1!) USER MOD Set 3.5: I 6 GLN : amide:sc= -0.263 K(o=0.76,f=-8!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.506 K(o=0.76,f=-8!) USER MOD Set 4.1: A 2 HIS : no HD1:sc= -0.37 K(o=-3.7,f=-5.1) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.0975 X(o=-3.7,f=-3.9) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -1.46 K(o=-3.7,f=-5.9!) USER MOD Set 4.4: C 4 HIS : no HD1:sc= 0.0764 K(o=-3.7,f=-4.9) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.205 K(o=-3.7,f=-7.3) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.0761 X(o=-3.7,f=-3.6) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -0.952 K(o=-3.7,f=-5.4!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 X(o=-3.7,f=-3.8) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.525 K(o=-3.7,f=-6.4) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.0708 X(o=-3.7,f=-3.6) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-3.7,f=-3.6) USER MOD Set 4.12: K 4 HIS : no HE2:sc= 0.00976 X(o=-3.7,f=-3.8) USER MOD Single : A 1 ILE N :NH3+ -150:sc= -0.146 (180deg=-0.994) USER MOD Single : C 1 ILE N :NH3+ -150:sc= -0.193 (180deg=-1.23!) USER MOD Single : E 1 ILE N :NH3+ -130:sc= -0.158 (180deg=-0.906) USER MOD Single : G 1 ILE N :NH3+ -134:sc= -0.198 (180deg=-1.17!) USER MOD Single : I 1 ILE N :NH3+ -150:sc= -0.126 (180deg=-0.937) USER MOD Single : K 1 ILE N :NH3+ -150:sc= -0.202 (180deg=-1.11) USER MOD Single : O 1 ILE N :NH3+ -150:sc= -0.196 (180deg=-0.955) USER MOD Single : Q 1 ILE N :NH3+ -134:sc= -0.275 (180deg=-1.2!) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.13 (180deg=-0.895) USER MOD Single : U 1 ILE N :NH3+ -149:sc= -0.212 (180deg=-1.3!) USER MOD Single : W 1 ILE N :NH3+ -154:sc= -0.147 (180deg=-0.951) USER MOD Single : Y 1 ILE N :NH3+ -136:sc= -0.184 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.085 -11.699 7.285 1.00 0.00 N ATOM 2 CA ILE A 1 -11.265 -10.461 8.096 1.00 0.00 C ATOM 3 C ILE A 1 -11.304 -9.250 7.171 1.00 0.00 C ATOM 4 O ILE A 1 -10.427 -9.073 6.320 1.00 0.00 O ATOM 5 CB ILE A 1 -10.105 -10.329 9.090 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.169 -11.495 10.081 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.226 -9.007 9.847 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.879 -11.555 10.899 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.543 -12.499 7.767 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.516 -11.566 6.348 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.070 -11.897 7.174 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.203 -10.516 8.649 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.155 -10.348 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.025 -11.373 10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.313 -12.432 9.544 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.401 -8.915 10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.192 -8.178 9.140 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.171 -8.983 10.389 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.932 -12.387 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.030 -11.698 10.230 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.753 -10.623 11.449 1.00 0.00 H new ATOM 22 N HIS A 2 -12.325 -8.410 7.343 1.00 0.00 N ATOM 23 CA HIS A 2 -12.461 -7.224 6.539 1.00 0.00 C ATOM 24 C HIS A 2 -12.272 -6.002 7.429 1.00 0.00 C ATOM 25 O HIS A 2 -13.003 -5.818 8.402 1.00 0.00 O ATOM 26 CB HIS A 2 -13.892 -7.256 5.967 1.00 0.00 C ATOM 27 CG HIS A 2 -14.298 -5.923 5.413 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.630 -5.493 5.397 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.576 -4.936 4.814 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.659 -4.294 4.800 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.442 -3.902 4.421 1.00 0.00 N ATOM 0 H HIS A 2 -13.063 -8.540 8.035 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.724 -7.180 5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.953 -8.010 5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.590 -7.553 6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.506 -4.946 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.558 -3.716 4.645 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -14.193 -3.034 3.946 1.00 0.00 H new ATOM 38 N VAL A 3 -11.306 -5.152 7.078 1.00 0.00 N ATOM 39 CA VAL A 3 -11.056 -3.929 7.840 1.00 0.00 C ATOM 40 C VAL A 3 -11.292 -2.723 6.941 1.00 0.00 C ATOM 41 O VAL A 3 -10.633 -2.589 5.910 1.00 0.00 O ATOM 42 CB VAL A 3 -9.607 -3.930 8.348 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.336 -2.684 9.210 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.360 -5.200 9.178 1.00 0.00 C ATOM 0 H VAL A 3 -10.689 -5.287 6.277 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.732 -3.880 8.694 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.932 -3.912 7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.304 -2.702 9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.501 -1.786 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.011 -2.680 10.066 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.332 -5.204 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.044 -5.219 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.529 -6.079 8.557 1.00 0.00 H new ATOM 54 N HIS A 4 -12.199 -1.833 7.339 1.00 0.00 N ATOM 55 CA HIS A 4 -12.465 -0.642 6.574 1.00 0.00 C ATOM 56 C HIS A 4 -12.152 0.612 7.381 1.00 0.00 C ATOM 57 O HIS A 4 -12.585 0.745 8.526 1.00 0.00 O ATOM 58 CB HIS A 4 -13.933 -0.678 6.109 1.00 0.00 C ATOM 59 CG HIS A 4 -14.111 0.213 4.911 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.445 -0.255 3.626 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.996 1.555 4.802 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.510 0.816 2.820 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.250 1.947 3.485 1.00 0.00 N ATOM 0 H HIS A 4 -12.756 -1.925 8.189 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.816 -0.611 5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.220 -1.700 5.859 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.588 -0.351 6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.745 2.224 5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.743 0.770 1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.239 2.895 3.110 1.00 0.00 H new ATOM 71 N LEU A 5 -11.407 1.540 6.777 1.00 0.00 N ATOM 72 CA LEU A 5 -11.058 2.792 7.456 1.00 0.00 C ATOM 73 C LEU A 5 -11.205 3.962 6.485 1.00 0.00 C ATOM 74 O LEU A 5 -10.445 4.088 5.518 1.00 0.00 O ATOM 75 CB LEU A 5 -9.610 2.702 7.992 1.00 0.00 C ATOM 76 CG LEU A 5 -9.499 3.227 9.441 1.00 0.00 C ATOM 77 CD1 LEU A 5 -10.247 4.569 9.608 1.00 0.00 C ATOM 78 CD2 LEU A 5 -10.048 2.170 10.422 1.00 0.00 C ATOM 0 H LEU A 5 -11.037 1.452 5.831 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.731 2.955 8.297 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.272 1.666 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.947 3.277 7.346 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.448 3.407 9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.151 4.913 10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.817 5.311 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.301 4.430 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.968 2.544 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.094 1.968 10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.471 1.250 10.326 1.00 0.00 H new ATOM 90 N GLN A 6 -12.179 4.826 6.761 1.00 0.00 N ATOM 91 CA GLN A 6 -12.418 6.002 5.929 1.00 0.00 C ATOM 92 C GLN A 6 -12.074 7.244 6.737 1.00 0.00 C ATOM 93 O GLN A 6 -12.726 7.546 7.736 1.00 0.00 O ATOM 94 CB GLN A 6 -13.887 6.034 5.490 1.00 0.00 C ATOM 95 CG GLN A 6 -14.127 7.223 4.552 1.00 0.00 C ATOM 96 CD GLN A 6 -15.606 7.316 4.186 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.459 7.444 5.064 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.962 7.266 2.929 1.00 0.00 N ATOM 0 H GLN A 6 -12.815 4.734 7.553 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.795 5.967 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.145 5.103 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.535 6.112 6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.805 8.146 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.528 7.110 3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.254 7.160 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.948 7.333 2.675 1.00 0.00 H new ATOM 107 N ILE A 7 -11.025 7.950 6.313 1.00 0.00 N ATOM 108 CA ILE A 7 -10.574 9.151 7.018 1.00 0.00 C ATOM 109 C ILE A 7 -10.502 10.329 6.050 1.00 0.00 C ATOM 110 O ILE A 7 -10.683 11.451 6.496 1.00 0.00 O ATOM 111 CB ILE A 7 -9.184 8.903 7.646 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.107 7.479 8.209 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.952 9.908 8.781 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.694 7.214 8.724 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.274 10.092 4.875 1.00 0.00 O ATOM 0 H ILE A 7 -10.474 7.713 5.488 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.286 9.384 7.809 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.420 9.027 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.829 7.355 9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.366 6.756 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.972 9.735 9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.996 10.922 8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.723 9.782 9.541 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.637 6.202 9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.982 7.321 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.453 7.930 9.510 1.00 0.00 H new ATOM 128 N ILE C 1 -7.905 -11.778 3.628 1.00 0.00 N ATOM 129 CA ILE C 1 -8.107 -10.526 4.407 1.00 0.00 C ATOM 130 C ILE C 1 -8.192 -9.344 3.447 1.00 0.00 C ATOM 131 O ILE C 1 -7.320 -9.151 2.590 1.00 0.00 O ATOM 132 CB ILE C 1 -6.937 -10.341 5.388 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.944 -11.525 6.363 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.112 -9.036 6.167 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.665 -11.526 7.196 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.334 -12.577 4.138 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.353 -11.682 2.694 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.887 -11.951 3.507 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.035 -10.586 4.976 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.993 -10.299 4.844 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.813 -11.462 7.017 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.028 -12.461 5.810 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.280 -8.911 6.860 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.134 -8.197 5.471 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.047 -9.068 6.726 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.680 -12.371 7.885 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.801 -11.611 6.537 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.599 -10.597 7.762 1.00 0.00 H new ATOM 149 N HIS C 2 -9.253 -8.549 3.588 1.00 0.00 N ATOM 150 CA HIS C 2 -9.424 -7.376 2.731 1.00 0.00 C ATOM 151 C HIS C 2 -9.241 -6.116 3.568 1.00 0.00 C ATOM 152 O HIS C 2 -9.948 -5.912 4.556 1.00 0.00 O ATOM 153 CB HIS C 2 -10.841 -7.385 2.110 1.00 0.00 C ATOM 154 CG HIS C 2 -10.855 -8.170 0.818 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.168 -7.582 -0.401 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.609 -9.494 0.538 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.100 -8.540 -1.344 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.763 -9.723 -0.825 1.00 0.00 N ATOM 0 H HIS C 2 -9.994 -8.691 4.274 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.684 -7.397 1.931 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.549 -7.822 2.814 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.168 -6.362 1.923 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.337 -10.243 1.267 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.294 -8.372 -2.393 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.644 -10.606 -1.322 1.00 0.00 H new ATOM 166 N VAL C 3 -8.321 -5.251 3.144 1.00 0.00 N ATOM 167 CA VAL C 3 -8.087 -3.988 3.839 1.00 0.00 C ATOM 168 C VAL C 3 -8.471 -2.836 2.921 1.00 0.00 C ATOM 169 O VAL C 3 -7.952 -2.734 1.807 1.00 0.00 O ATOM 170 CB VAL C 3 -6.608 -3.868 4.225 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.377 -2.534 4.939 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.217 -5.024 5.159 1.00 0.00 C ATOM 0 H VAL C 3 -7.729 -5.401 2.327 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.692 -3.955 4.745 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.996 -3.913 3.324 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.326 -2.446 5.215 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.648 -1.714 4.274 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.993 -2.491 5.838 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.165 -4.933 5.430 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.828 -4.986 6.061 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.380 -5.974 4.650 1.00 0.00 H new ATOM 182 N HIS C 4 -9.350 -1.956 3.392 1.00 0.00 N ATOM 183 CA HIS C 4 -9.760 -0.795 2.594 1.00 0.00 C ATOM 184 C HIS C 4 -9.354 0.476 3.335 1.00 0.00 C ATOM 185 O HIS C 4 -9.654 0.629 4.522 1.00 0.00 O ATOM 186 CB HIS C 4 -11.296 -0.828 2.365 1.00 0.00 C ATOM 187 CG HIS C 4 -11.740 -2.116 1.658 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.947 -2.759 1.963 1.00 0.00 N ATOM 189 CD2 HIS C 4 -11.162 -2.890 0.668 1.00 0.00 C ATOM 190 CE1 HIS C 4 -13.040 -3.852 1.181 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.981 -3.981 0.376 1.00 0.00 N ATOM 0 H HIS C 4 -9.790 -2.019 4.310 1.00 0.00 H new ATOM 0 HA HIS C 4 -9.271 -0.817 1.620 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.808 -0.745 3.324 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.593 0.035 1.769 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.216 -2.681 0.191 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.871 -4.542 1.202 1.00 0.00 H new ATOM 0 HE2 HIS C 4 -11.808 -4.719 -0.306 1.00 0.00 H new ATOM 198 N LEU C 5 -8.668 1.391 2.646 1.00 0.00 N ATOM 199 CA LEU C 5 -8.223 2.635 3.282 1.00 0.00 C ATOM 200 C LEU C 5 -8.439 3.813 2.335 1.00 0.00 C ATOM 201 O LEU C 5 -7.861 3.865 1.243 1.00 0.00 O ATOM 202 CB LEU C 5 -6.731 2.488 3.633 1.00 0.00 C ATOM 203 CG LEU C 5 -6.369 3.157 4.976 1.00 0.00 C ATOM 204 CD1 LEU C 5 -7.048 4.527 5.133 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.760 2.230 6.137 1.00 0.00 C ATOM 0 H LEU C 5 -8.411 1.298 1.663 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.798 2.824 4.188 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.475 1.430 3.678 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.129 2.928 2.838 1.00 0.00 H new ATOM 0 HG LEU C 5 -5.292 3.325 4.990 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -6.768 4.964 6.091 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.728 5.186 4.326 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -8.130 4.403 5.094 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -6.503 2.705 7.084 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -7.833 2.040 6.105 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -6.222 1.287 6.046 1.00 0.00 H new ATOM 217 N GLN C 6 -9.259 4.766 2.771 1.00 0.00 N ATOM 218 CA GLN C 6 -9.533 5.957 1.971 1.00 0.00 C ATOM 219 C GLN C 6 -9.121 7.189 2.761 1.00 0.00 C ATOM 220 O GLN C 6 -9.721 7.510 3.787 1.00 0.00 O ATOM 221 CB GLN C 6 -11.022 6.015 1.622 1.00 0.00 C ATOM 222 CG GLN C 6 -11.284 7.182 0.669 1.00 0.00 C ATOM 223 CD GLN C 6 -12.775 7.304 0.381 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.594 7.290 1.301 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.177 7.413 -0.858 1.00 0.00 N ATOM 0 H GLN C 6 -9.743 4.738 3.668 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.964 5.921 1.042 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.334 5.078 1.159 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.614 6.134 2.530 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.914 8.109 1.108 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.738 7.030 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.495 7.424 -1.616 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.173 7.487 -1.066 1.00 0.00 H new ATOM 234 N ILE C 7 -8.076 7.869 2.284 1.00 0.00 N ATOM 235 CA ILE C 7 -7.564 9.061 2.961 1.00 0.00 C ATOM 236 C ILE C 7 -7.746 10.289 2.071 1.00 0.00 C ATOM 237 O ILE C 7 -7.141 10.323 1.012 1.00 0.00 O ATOM 238 CB ILE C 7 -6.072 8.879 3.297 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.809 7.445 3.774 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.681 9.855 4.407 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.315 7.272 4.060 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.488 11.175 2.462 1.00 0.00 O ATOM 0 H ILE C 7 -7.570 7.616 1.435 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.123 9.205 3.886 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.480 9.074 2.402 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.389 7.236 4.673 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.130 6.732 3.014 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.625 9.729 4.647 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.857 10.877 4.072 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.281 9.656 5.295 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.125 6.254 4.399 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -3.746 7.464 3.150 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.009 7.975 4.834 1.00 0.00 H new ATOM 255 N ILE E 1 -5.324 -11.687 -0.570 1.00 0.00 N ATOM 256 CA ILE E 1 -5.386 -10.443 0.247 1.00 0.00 C ATOM 257 C ILE E 1 -5.518 -9.237 -0.670 1.00 0.00 C ATOM 258 O ILE E 1 -4.742 -9.075 -1.619 1.00 0.00 O ATOM 259 CB ILE E 1 -4.112 -10.325 1.087 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.078 -11.474 2.096 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.098 -8.987 1.828 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.707 -11.524 2.764 1.00 0.00 C ATOM 0 H1 ILE E 1 -6.009 -12.378 -0.203 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.554 -11.464 -1.560 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.366 -12.089 -0.519 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.251 -10.481 0.909 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.238 -10.376 0.438 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.856 -11.336 2.847 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.284 -12.419 1.594 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.188 -8.910 2.424 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.129 -8.171 1.106 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.967 -8.925 2.483 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.682 -12.343 3.483 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.939 -11.683 2.007 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.519 -10.582 3.280 1.00 0.00 H new ATOM 276 N HIS E 2 -6.500 -8.378 -0.379 1.00 0.00 N ATOM 277 CA HIS E 2 -6.707 -7.191 -1.177 1.00 0.00 C ATOM 278 C HIS E 2 -6.392 -5.963 -0.335 1.00 0.00 C ATOM 279 O HIS E 2 -7.004 -5.753 0.712 1.00 0.00 O ATOM 280 CB HIS E 2 -8.196 -7.175 -1.580 1.00 0.00 C ATOM 281 CG HIS E 2 -8.595 -5.834 -2.133 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.885 -5.295 -1.988 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.897 -4.927 -2.871 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.906 -4.123 -2.633 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.730 -3.842 -3.191 1.00 0.00 N ATOM 0 H HIS E 2 -7.152 -8.490 0.397 1.00 0.00 H new ATOM 0 HA HIS E 2 -6.065 -7.187 -2.058 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.382 -7.949 -2.325 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.813 -7.412 -0.713 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.663 -5.720 -1.483 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.863 -5.026 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.773 -3.482 -2.694 1.00 0.00 H new ATOM 292 N VAL E 3 -5.465 -5.132 -0.812 1.00 0.00 N ATOM 293 CA VAL E 3 -5.118 -3.902 -0.105 1.00 0.00 C ATOM 294 C VAL E 3 -5.448 -2.711 -0.990 1.00 0.00 C ATOM 295 O VAL E 3 -4.897 -2.596 -2.086 1.00 0.00 O ATOM 296 CB VAL E 3 -3.618 -3.904 0.217 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.238 -2.643 1.020 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.272 -5.166 1.026 1.00 0.00 C ATOM 0 H VAL E 3 -4.946 -5.287 -1.676 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.685 -3.837 0.824 1.00 0.00 H new ATOM 0 HB VAL E 3 -3.053 -3.902 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.171 -2.660 1.240 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.474 -1.754 0.435 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.801 -2.623 1.953 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.207 -5.170 1.256 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.844 -5.171 1.954 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.520 -6.052 0.442 1.00 0.00 H new ATOM 308 N HIS E 4 -6.303 -1.803 -0.512 1.00 0.00 N ATOM 309 CA HIS E 4 -6.626 -0.625 -1.267 1.00 0.00 C ATOM 310 C HIS E 4 -6.223 0.633 -0.517 1.00 0.00 C ATOM 311 O HIS E 4 -6.557 0.804 0.659 1.00 0.00 O ATOM 312 CB HIS E 4 -8.128 -0.647 -1.595 1.00 0.00 C ATOM 313 CG HIS E 4 -8.406 0.242 -2.775 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.799 -0.226 -4.044 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.359 1.588 -2.872 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.968 0.851 -4.828 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.717 1.984 -4.163 1.00 0.00 N ATOM 0 H HIS E 4 -6.773 -1.874 0.390 1.00 0.00 H new ATOM 0 HA HIS E 4 -6.063 -0.617 -2.200 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.447 -1.666 -1.813 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.703 -0.311 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -8.085 2.259 -2.071 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -9.269 0.808 -5.864 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.775 2.937 -4.523 1.00 0.00 H new ATOM 325 N LEU E 5 -5.512 1.525 -1.209 1.00 0.00 N ATOM 326 CA LEU E 5 -5.068 2.775 -0.599 1.00 0.00 C ATOM 327 C LEU E 5 -5.326 3.937 -1.555 1.00 0.00 C ATOM 328 O LEU E 5 -4.691 4.034 -2.609 1.00 0.00 O ATOM 329 CB LEU E 5 -3.562 2.670 -0.278 1.00 0.00 C ATOM 330 CG LEU E 5 -3.225 3.240 1.112 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.917 4.603 1.342 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.624 2.218 2.197 1.00 0.00 C ATOM 0 H LEU E 5 -5.234 1.405 -2.183 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.622 2.955 0.322 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.254 1.626 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.992 3.206 -1.037 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.151 3.415 1.171 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -3.660 4.979 2.332 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -3.583 5.313 0.586 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -4.998 4.479 1.271 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.386 2.621 3.181 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -4.694 2.021 2.135 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -3.074 1.290 2.042 1.00 0.00 H new ATOM 344 N GLN E 6 -6.240 4.826 -1.172 1.00 0.00 N ATOM 345 CA GLN E 6 -6.550 5.994 -1.995 1.00 0.00 C ATOM 346 C GLN E 6 -6.117 7.251 -1.253 1.00 0.00 C ATOM 347 O GLN E 6 -6.638 7.563 -0.183 1.00 0.00 O ATOM 348 CB GLN E 6 -8.052 6.032 -2.304 1.00 0.00 C ATOM 349 CG GLN E 6 -8.356 7.206 -3.240 1.00 0.00 C ATOM 350 CD GLN E 6 -9.856 7.313 -3.505 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.656 7.425 -2.570 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.284 7.295 -4.739 1.00 0.00 N ATOM 0 H GLN E 6 -6.775 4.762 -0.306 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.012 5.937 -2.941 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.362 5.095 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.621 6.134 -1.380 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.993 8.134 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.824 7.073 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.620 7.202 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.282 7.374 -4.934 1.00 0.00 H new ATOM 361 N ILE E 7 -5.136 7.956 -1.819 1.00 0.00 N ATOM 362 CA ILE E 7 -4.606 9.170 -1.195 1.00 0.00 C ATOM 363 C ILE E 7 -4.630 10.326 -2.194 1.00 0.00 C ATOM 364 O ILE E 7 -4.736 11.460 -1.755 1.00 0.00 O ATOM 365 CB ILE E 7 -3.152 8.929 -0.718 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.002 7.501 -0.175 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.808 9.933 0.388 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.537 7.236 0.180 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.543 10.061 -3.381 1.00 0.00 O ATOM 0 H ILE E 7 -4.694 7.709 -2.704 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.229 9.423 -0.337 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.474 9.061 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.630 7.369 0.706 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.342 6.781 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.785 9.766 0.726 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.901 10.947 0.000 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.493 9.801 1.226 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.434 6.222 0.565 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -0.920 7.350 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.212 7.947 0.939 1.00 0.00 H new ATOM 382 N ILE G 1 -1.817 -11.776 -4.196 1.00 0.00 N ATOM 383 CA ILE G 1 -1.982 -10.521 -3.411 1.00 0.00 C ATOM 384 C ILE G 1 -2.110 -9.342 -4.368 1.00 0.00 C ATOM 385 O ILE G 1 -1.251 -9.129 -5.236 1.00 0.00 O ATOM 386 CB ILE G 1 -0.764 -10.330 -2.496 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.708 -11.506 -1.516 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.904 -9.023 -1.721 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.623 -11.496 -0.765 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.444 -12.511 -3.812 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.062 -11.598 -5.191 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.830 -12.097 -4.134 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.881 -10.582 -2.798 1.00 0.00 H new ATOM 0 HB ILE G 1 0.149 -10.292 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.535 -11.441 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.824 -12.446 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.038 -8.890 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.964 -8.190 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.810 -9.054 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.655 -12.335 -0.070 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.443 -11.583 -1.477 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.721 -10.562 -0.211 1.00 0.00 H new ATOM 403 N HIS G 2 -3.185 -8.563 -4.209 1.00 0.00 N ATOM 404 CA HIS G 2 -3.390 -7.393 -5.066 1.00 0.00 C ATOM 405 C HIS G 2 -3.199 -6.124 -4.246 1.00 0.00 C ATOM 406 O HIS G 2 -3.877 -5.918 -3.236 1.00 0.00 O ATOM 407 CB HIS G 2 -4.820 -7.419 -5.655 1.00 0.00 C ATOM 408 CG HIS G 2 -4.856 -8.202 -6.948 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.181 -7.610 -8.163 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.625 -9.527 -7.230 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.139 -8.571 -9.106 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.805 -9.756 -8.591 1.00 0.00 N ATOM 0 H HIS G 2 -3.912 -8.717 -3.510 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.667 -7.412 -5.881 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.506 -7.866 -4.935 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.163 -6.400 -5.833 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.346 -10.277 -6.505 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.350 -8.403 -10.152 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.703 -10.641 -9.089 1.00 0.00 H new ATOM 420 N VAL G 3 -2.300 -5.258 -4.711 1.00 0.00 N ATOM 421 CA VAL G 3 -2.049 -3.983 -4.045 1.00 0.00 C ATOM 422 C VAL G 3 -2.469 -2.844 -4.966 1.00 0.00 C ATOM 423 O VAL G 3 -1.985 -2.750 -6.097 1.00 0.00 O ATOM 424 CB VAL G 3 -0.557 -3.851 -3.725 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.302 -2.511 -3.034 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.117 -4.996 -2.800 1.00 0.00 C ATOM 0 H VAL G 3 -1.735 -5.416 -5.545 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.622 -3.940 -3.119 1.00 0.00 H new ATOM 0 HB VAL G 3 0.014 -3.900 -4.652 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.760 -2.416 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.606 -1.698 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.878 -2.463 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.945 -4.896 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.688 -4.955 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.295 -5.951 -3.294 1.00 0.00 H new ATOM 436 N HIS G 4 -3.337 -1.957 -4.478 1.00 0.00 N ATOM 437 CA HIS G 4 -3.772 -0.809 -5.282 1.00 0.00 C ATOM 438 C HIS G 4 -3.341 0.474 -4.571 1.00 0.00 C ATOM 439 O HIS G 4 -3.611 0.645 -3.378 1.00 0.00 O ATOM 440 CB HIS G 4 -5.316 -0.842 -5.468 1.00 0.00 C ATOM 441 CG HIS G 4 -5.779 -2.140 -6.142 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.972 -2.791 -5.791 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.221 -2.925 -7.136 1.00 0.00 C ATOM 444 CE1 HIS G 4 -7.072 -3.898 -6.552 1.00 0.00 C ATOM 445 NE2 HIS G 4 -6.034 -4.029 -7.385 1.00 0.00 N ATOM 0 H HIS G 4 -3.748 -2.007 -3.546 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.314 -0.848 -6.270 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.802 -0.743 -4.497 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.628 0.012 -6.069 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.642 -2.482 -5.087 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.292 -2.713 -7.644 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.893 -4.597 -6.496 1.00 0.00 H new ATOM 452 N LEU G 5 -2.666 1.373 -5.295 1.00 0.00 N ATOM 453 CA LEU G 5 -2.192 2.627 -4.696 1.00 0.00 C ATOM 454 C LEU G 5 -2.463 3.795 -5.640 1.00 0.00 C ATOM 455 O LEU G 5 -1.930 3.846 -6.753 1.00 0.00 O ATOM 456 CB LEU G 5 -0.680 2.493 -4.427 1.00 0.00 C ATOM 457 CG LEU G 5 -0.255 3.178 -3.112 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.904 4.567 -2.966 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.618 2.275 -1.916 1.00 0.00 C ATOM 0 H LEU G 5 -2.438 1.260 -6.283 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.719 2.820 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.413 1.437 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.126 2.930 -5.257 1.00 0.00 H new ATOM 0 HG LEU G 5 0.825 3.326 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.583 5.022 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.600 5.200 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -1.989 4.463 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU G 5 -0.317 2.761 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU G 5 -1.694 2.104 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -0.100 1.321 -2.010 1.00 0.00 H new ATOM 471 N GLN G 6 -3.272 4.743 -5.176 1.00 0.00 N ATOM 472 CA GLN G 6 -3.593 5.926 -5.971 1.00 0.00 C ATOM 473 C GLN G 6 -3.160 7.171 -5.211 1.00 0.00 C ATOM 474 O GLN G 6 -3.736 7.508 -4.178 1.00 0.00 O ATOM 475 CB GLN G 6 -5.100 5.959 -6.257 1.00 0.00 C ATOM 476 CG GLN G 6 -5.419 7.126 -7.191 1.00 0.00 C ATOM 477 CD GLN G 6 -6.923 7.231 -7.436 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.726 7.201 -6.495 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.354 7.340 -8.665 1.00 0.00 N ATOM 0 H GLN G 6 -3.716 4.717 -4.258 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.062 5.893 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.415 5.020 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.655 6.064 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.051 8.056 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.900 6.990 -8.140 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.689 7.364 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.355 7.401 -8.851 1.00 0.00 H new ATOM 488 N ILE G 7 -2.127 7.845 -5.725 1.00 0.00 N ATOM 489 CA ILE G 7 -1.601 9.052 -5.081 1.00 0.00 C ATOM 490 C ILE G 7 -1.851 10.272 -5.964 1.00 0.00 C ATOM 491 O ILE G 7 -1.302 10.314 -7.052 1.00 0.00 O ATOM 492 CB ILE G 7 -0.089 8.901 -4.822 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.224 7.473 -4.362 1.00 0.00 C ATOM 494 CG2 ILE G 7 0.336 9.883 -3.729 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.729 7.336 -4.110 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.591 11.144 -5.538 1.00 0.00 O ATOM 0 H ILE G 7 -1.641 7.577 -6.581 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.114 9.189 -4.129 1.00 0.00 H new ATOM 0 HB ILE G 7 0.454 9.110 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.330 7.243 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.095 6.757 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE G 7 1.405 9.780 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE G 7 0.121 10.902 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.214 9.668 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.952 6.321 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE G 7 2.273 7.548 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE G 7 2.034 8.042 -3.337 1.00 0.00 H new ATOM 509 N ILE I 1 0.733 -11.610 -8.374 1.00 0.00 N ATOM 510 CA ILE I 1 0.695 -10.366 -7.555 1.00 0.00 C ATOM 511 C ILE I 1 0.518 -9.165 -8.469 1.00 0.00 C ATOM 512 O ILE I 1 1.257 -9.006 -9.441 1.00 0.00 O ATOM 513 CB ILE I 1 2.005 -10.229 -6.779 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.111 -11.387 -5.786 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.020 -8.898 -6.026 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.514 -11.414 -5.196 1.00 0.00 C ATOM 0 H1 ILE I 1 0.352 -12.403 -7.819 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.158 -11.479 -9.231 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.715 -11.817 -8.645 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.139 -10.415 -6.855 1.00 0.00 H new ATOM 0 HB ILE I 1 2.850 -10.254 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.372 -11.270 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.896 -12.331 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.955 -8.803 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.934 -8.077 -6.737 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.182 -8.865 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.595 -12.238 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.242 -11.550 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.711 -10.473 -4.682 1.00 0.00 H new ATOM 530 N HIS I 2 -0.455 -8.309 -8.151 1.00 0.00 N ATOM 531 CA HIS I 2 -0.692 -7.126 -8.949 1.00 0.00 C ATOM 532 C HIS I 2 -0.353 -5.891 -8.130 1.00 0.00 C ATOM 533 O HIS I 2 -0.925 -5.676 -7.065 1.00 0.00 O ATOM 534 CB HIS I 2 -2.193 -7.112 -9.312 1.00 0.00 C ATOM 535 CG HIS I 2 -2.596 -5.778 -9.879 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.889 -5.251 -9.748 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.893 -4.865 -10.606 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.909 -4.075 -10.386 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.730 -3.784 -10.930 1.00 0.00 N ATOM 0 H HIS I 2 -1.081 -8.419 -7.353 1.00 0.00 H new ATOM 0 HA HIS I 2 -0.077 -7.130 -9.849 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.403 -7.898 -10.037 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.788 -7.329 -8.425 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.671 -5.685 -9.257 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.855 -4.958 -10.889 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.779 -3.438 -10.452 1.00 0.00 H new ATOM 546 N VAL I 3 0.549 -5.059 -8.648 1.00 0.00 N ATOM 547 CA VAL I 3 0.914 -3.822 -7.963 1.00 0.00 C ATOM 548 C VAL I 3 0.542 -2.642 -8.841 1.00 0.00 C ATOM 549 O VAL I 3 1.050 -2.531 -9.959 1.00 0.00 O ATOM 550 CB VAL I 3 2.425 -3.796 -7.707 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.812 -2.528 -6.918 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.841 -5.048 -6.921 1.00 0.00 C ATOM 0 H VAL I 3 1.036 -5.217 -9.530 1.00 0.00 H new ATOM 0 HA VAL I 3 0.384 -3.766 -7.012 1.00 0.00 H new ATOM 0 HB VAL I 3 2.944 -3.784 -8.665 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.888 -2.522 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.533 -1.644 -7.491 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.289 -2.521 -5.962 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.916 -5.025 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.314 -5.070 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.588 -5.939 -7.496 1.00 0.00 H new ATOM 562 N HIS I 4 -0.296 -1.732 -8.337 1.00 0.00 N ATOM 563 CA HIS I 4 -0.648 -0.563 -9.091 1.00 0.00 C ATOM 564 C HIS I 4 -0.216 0.705 -8.376 1.00 0.00 C ATOM 565 O HIS I 4 -0.509 0.894 -7.191 1.00 0.00 O ATOM 566 CB HIS I 4 -2.160 -0.591 -9.364 1.00 0.00 C ATOM 567 CG HIS I 4 -2.485 0.298 -10.531 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.899 -0.174 -11.792 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.474 1.644 -10.623 1.00 0.00 C ATOM 570 CE1 HIS I 4 -3.117 0.900 -12.565 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.877 2.037 -11.902 1.00 0.00 N ATOM 0 H HIS I 4 -0.731 -1.796 -7.417 1.00 0.00 H new ATOM 0 HA HIS I 4 -0.119 -0.566 -10.044 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.482 -1.611 -9.572 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.704 -0.259 -8.480 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -2.195 2.318 -9.826 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.445 0.853 -13.593 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.969 2.989 -12.255 1.00 0.00 H new ATOM 579 N LEU I 5 0.472 1.585 -9.111 1.00 0.00 N ATOM 580 CA LEU I 5 0.940 2.849 -8.539 1.00 0.00 C ATOM 581 C LEU I 5 0.635 3.999 -9.495 1.00 0.00 C ATOM 582 O LEU I 5 1.236 4.102 -10.567 1.00 0.00 O ATOM 583 CB LEU I 5 2.461 2.750 -8.284 1.00 0.00 C ATOM 584 CG LEU I 5 2.846 3.324 -6.905 1.00 0.00 C ATOM 585 CD1 LEU I 5 2.152 4.681 -6.647 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.490 2.296 -5.808 1.00 0.00 C ATOM 0 H LEU I 5 0.714 1.447 -10.092 1.00 0.00 H new ATOM 0 HA LEU I 5 0.426 3.041 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.773 1.707 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.997 3.289 -9.065 1.00 0.00 H new ATOM 0 HG LEU I 5 3.920 3.509 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.444 5.059 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU I 5 2.451 5.394 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU I 5 1.071 4.548 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.760 2.698 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU I 5 1.419 2.093 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU I 5 3.039 1.371 -5.984 1.00 0.00 H new ATOM 598 N GLN I 6 -0.281 4.875 -9.087 1.00 0.00 N ATOM 599 CA GLN I 6 -0.635 6.039 -9.900 1.00 0.00 C ATOM 600 C GLN I 6 -0.188 7.301 -9.178 1.00 0.00 C ATOM 601 O GLN I 6 -0.651 7.597 -8.078 1.00 0.00 O ATOM 602 CB GLN I 6 -2.146 6.059 -10.166 1.00 0.00 C ATOM 603 CG GLN I 6 -2.491 7.244 -11.073 1.00 0.00 C ATOM 604 CD GLN I 6 -3.998 7.331 -11.310 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.785 7.468 -10.369 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.446 7.260 -12.535 1.00 0.00 N ATOM 0 H GLN I 6 -0.789 4.803 -8.205 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.130 5.986 -10.864 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.455 5.126 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.690 6.137 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.137 8.169 -10.619 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -1.975 7.139 -12.027 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.794 7.147 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.448 7.318 -12.716 1.00 0.00 H new ATOM 615 N ILE I 7 0.742 8.030 -9.798 1.00 0.00 N ATOM 616 CA ILE I 7 1.282 9.251 -9.201 1.00 0.00 C ATOM 617 C ILE I 7 1.220 10.401 -10.204 1.00 0.00 C ATOM 618 O ILE I 7 1.120 11.537 -9.770 1.00 0.00 O ATOM 619 CB ILE I 7 2.750 9.020 -8.764 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.916 7.597 -8.213 1.00 0.00 C ATOM 621 CG2 ILE I 7 3.120 10.036 -7.677 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.390 7.336 -7.903 1.00 0.00 C ATOM 623 OXT ILE I 7 1.271 10.129 -11.393 1.00 0.00 O ATOM 0 H ILE I 7 1.135 7.797 -10.710 1.00 0.00 H new ATOM 0 HA ILE I 7 0.682 9.509 -8.328 1.00 0.00 H new ATOM 0 HB ILE I 7 3.406 9.146 -9.625 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.317 7.473 -7.311 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.552 6.870 -8.939 1.00 0.00 H new ATOM 0 HG21 ILE I 7 4.153 9.877 -7.367 1.00 0.00 H new ATOM 0 HG22 ILE I 7 3.011 11.046 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.460 9.908 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.506 6.325 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.978 7.442 -8.815 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.739 8.054 -7.161 1.00 0.00 H new ATOM 636 N ILE K 1 4.216 -11.744 -11.831 1.00 0.00 N ATOM 637 CA ILE K 1 4.107 -10.472 -11.063 1.00 0.00 C ATOM 638 C ILE K 1 3.944 -9.312 -12.036 1.00 0.00 C ATOM 639 O ILE K 1 4.803 -9.087 -12.889 1.00 0.00 O ATOM 640 CB ILE K 1 5.379 -10.272 -10.231 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.500 -11.421 -9.226 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.300 -8.947 -9.479 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.884 -11.393 -8.576 1.00 0.00 C ATOM 0 H1 ILE K 1 3.829 -12.526 -11.265 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.680 -11.661 -12.718 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.215 -11.935 -12.047 1.00 0.00 H new ATOM 0 HA ILE K 1 3.243 -10.514 -10.399 1.00 0.00 H new ATOM 0 HB ILE K 1 6.249 -10.259 -10.888 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.727 -11.332 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.343 -12.375 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.206 -8.809 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.204 -8.129 -10.193 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.434 -8.955 -8.817 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.967 -12.212 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.649 -11.503 -9.344 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.024 -10.444 -8.058 1.00 0.00 H new ATOM 657 N HIS K 2 2.847 -8.560 -11.899 1.00 0.00 N ATOM 658 CA HIS K 2 2.610 -7.411 -12.776 1.00 0.00 C ATOM 659 C HIS K 2 2.817 -6.121 -11.992 1.00 0.00 C ATOM 660 O HIS K 2 2.180 -5.901 -10.961 1.00 0.00 O ATOM 661 CB HIS K 2 1.161 -7.448 -13.313 1.00 0.00 C ATOM 662 CG HIS K 2 1.081 -8.244 -14.591 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.709 -7.665 -15.798 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.302 -9.572 -14.865 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.718 -8.635 -16.731 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.072 -9.816 -16.215 1.00 0.00 N ATOM 0 H HIS K 2 2.121 -8.723 -11.201 1.00 0.00 H new ATOM 0 HA HIS K 2 3.308 -7.453 -13.612 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.502 -7.888 -12.564 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.808 -6.432 -13.490 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.608 -10.314 -14.142 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.469 -8.478 -17.770 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.156 -10.706 -16.706 1.00 0.00 H new ATOM 674 N VAL K 3 3.687 -5.259 -12.510 1.00 0.00 N ATOM 675 CA VAL K 3 3.955 -3.969 -11.883 1.00 0.00 C ATOM 676 C VAL K 3 3.485 -2.849 -12.806 1.00 0.00 C ATOM 677 O VAL K 3 3.915 -2.780 -13.958 1.00 0.00 O ATOM 678 CB VAL K 3 5.460 -3.829 -11.634 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.752 -2.478 -10.982 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.946 -4.956 -10.715 1.00 0.00 C ATOM 0 H VAL K 3 4.219 -5.431 -13.363 1.00 0.00 H new ATOM 0 HA VAL K 3 3.421 -3.905 -10.935 1.00 0.00 H new ATOM 0 HB VAL K 3 5.984 -3.893 -12.588 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.824 -2.383 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.419 -1.676 -11.641 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.222 -2.410 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.017 -4.849 -10.543 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.418 -4.902 -9.763 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.748 -5.919 -11.185 1.00 0.00 H new ATOM 690 N HIS K 4 2.634 -1.952 -12.301 1.00 0.00 N ATOM 691 CA HIS K 4 2.162 -0.819 -13.113 1.00 0.00 C ATOM 692 C HIS K 4 2.616 0.482 -12.445 1.00 0.00 C ATOM 693 O HIS K 4 2.406 0.677 -11.244 1.00 0.00 O ATOM 694 CB HIS K 4 0.614 -0.858 -13.257 1.00 0.00 C ATOM 695 CG HIS K 4 0.130 -2.171 -13.883 1.00 0.00 C ATOM 696 ND1 HIS K 4 -1.064 -2.797 -13.493 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.661 -2.989 -14.865 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.191 -3.923 -14.220 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.172 -4.088 -15.069 1.00 0.00 N ATOM 0 H HIS K 4 2.261 -1.983 -11.352 1.00 0.00 H new ATOM 0 HA HIS K 4 2.585 -0.880 -14.116 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.155 -0.733 -12.276 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.286 -0.020 -13.872 1.00 0.00 H new ATOM 0 HD1 HIS K 4 -1.718 -2.460 -12.786 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.584 -2.803 -15.395 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -2.018 -4.611 -14.128 1.00 0.00 H new ATOM 706 N LEU K 5 3.246 1.369 -13.221 1.00 0.00 N ATOM 707 CA LEU K 5 3.745 2.641 -12.680 1.00 0.00 C ATOM 708 C LEU K 5 3.415 3.782 -13.637 1.00 0.00 C ATOM 709 O LEU K 5 3.867 3.794 -14.782 1.00 0.00 O ATOM 710 CB LEU K 5 5.276 2.520 -12.484 1.00 0.00 C ATOM 711 CG LEU K 5 5.755 3.233 -11.203 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.114 4.624 -11.066 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.435 2.360 -9.971 1.00 0.00 C ATOM 0 H LEU K 5 3.422 1.234 -14.217 1.00 0.00 H new ATOM 0 HA LEU K 5 3.268 2.856 -11.724 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.553 1.467 -12.437 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.786 2.946 -13.348 1.00 0.00 H new ATOM 0 HG LEU K 5 6.834 3.375 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.471 5.101 -10.153 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.386 5.236 -11.926 1.00 0.00 H new ATOM 0 HD13 LEU K 5 4.030 4.522 -11.021 1.00 0.00 H new ATOM 0 HD21 LEU K 5 5.775 2.867 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU K 5 4.359 2.195 -9.912 1.00 0.00 H new ATOM 0 HD23 LEU K 5 5.945 1.401 -10.062 1.00 0.00 H new ATOM 725 N GLN K 6 2.637 4.746 -13.154 1.00 0.00 N ATOM 726 CA GLN K 6 2.265 5.907 -13.964 1.00 0.00 C ATOM 727 C GLN K 6 2.710 7.175 -13.247 1.00 0.00 C ATOM 728 O GLN K 6 2.146 7.549 -12.220 1.00 0.00 O ATOM 729 CB GLN K 6 0.743 5.912 -14.187 1.00 0.00 C ATOM 730 CG GLN K 6 0.355 7.055 -15.132 1.00 0.00 C ATOM 731 CD GLN K 6 -1.166 7.126 -15.294 1.00 0.00 C ATOM 732 OE1 GLN K 6 -1.911 7.097 -14.311 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.676 7.208 -16.494 1.00 0.00 N ATOM 0 H GLN K 6 2.252 4.749 -12.210 1.00 0.00 H new ATOM 0 HA GLN K 6 2.755 5.860 -14.936 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.426 4.958 -14.608 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.228 6.027 -13.233 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.729 8.001 -14.740 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.823 6.905 -16.105 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.062 7.232 -17.308 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.688 7.248 -16.616 1.00 0.00 H new ATOM 742 N ILE K 7 3.744 7.825 -13.789 1.00 0.00 N ATOM 743 CA ILE K 7 4.281 9.049 -13.185 1.00 0.00 C ATOM 744 C ILE K 7 3.963 10.254 -14.067 1.00 0.00 C ATOM 745 O ILE K 7 4.441 10.286 -15.189 1.00 0.00 O ATOM 746 CB ILE K 7 5.809 8.928 -13.009 1.00 0.00 C ATOM 747 CG1 ILE K 7 6.171 7.524 -12.521 1.00 0.00 C ATOM 748 CG2 ILE K 7 6.288 9.958 -11.983 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.688 7.422 -12.343 1.00 0.00 C ATOM 750 OXT ILE K 7 3.241 11.125 -13.608 1.00 0.00 O ATOM 0 H ILE K 7 4.223 7.527 -14.639 1.00 0.00 H new ATOM 0 HA ILE K 7 3.817 9.187 -12.208 1.00 0.00 H new ATOM 0 HB ILE K 7 6.292 9.110 -13.969 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.668 7.315 -11.577 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.827 6.778 -13.238 1.00 0.00 H new ATOM 0 HG21 ILE K 7 7.367 9.873 -11.858 1.00 0.00 H new ATOM 0 HG22 ILE K 7 6.041 10.961 -12.332 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.797 9.775 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.947 6.422 -11.995 1.00 0.00 H new ATOM 0 HD12 ILE K 7 8.180 7.613 -13.297 1.00 0.00 H new ATOM 0 HD13 ILE K 7 8.019 8.158 -11.610 1.00 0.00 H new ATOM 763 N ILE O 1 -4.033 11.434 12.704 1.00 0.00 N ATOM 764 CA ILE O 1 -4.751 10.191 13.107 1.00 0.00 C ATOM 765 C ILE O 1 -3.856 8.985 12.858 1.00 0.00 C ATOM 766 O ILE O 1 -3.325 8.809 11.759 1.00 0.00 O ATOM 767 CB ILE O 1 -6.043 10.060 12.291 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.977 11.217 12.657 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.722 8.730 12.618 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.144 11.271 11.671 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.357 12.228 13.292 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.010 11.302 12.835 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.230 11.640 11.704 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.000 10.239 14.167 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.814 10.091 11.226 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.352 11.087 13.672 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.429 12.159 12.638 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.640 8.638 12.038 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.051 7.908 12.369 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.960 8.695 13.681 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.806 12.096 11.935 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.761 11.422 10.662 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.698 10.333 11.712 1.00 0.00 H new ATOM 784 N HIS O 2 -3.694 8.147 13.882 1.00 0.00 N ATOM 785 CA HIS O 2 -2.880 6.967 13.761 1.00 0.00 C ATOM 786 C HIS O 2 -3.778 5.739 13.841 1.00 0.00 C ATOM 787 O HIS O 2 -4.484 5.543 14.831 1.00 0.00 O ATOM 788 CB HIS O 2 -1.900 6.997 14.951 1.00 0.00 C ATOM 789 CG HIS O 2 -1.243 5.665 15.161 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.822 5.227 16.422 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.887 4.686 14.284 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.239 4.033 16.259 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.245 3.650 14.983 1.00 0.00 N ATOM 0 H HIS O 2 -4.121 8.275 14.799 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.339 6.932 12.815 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.137 7.756 14.775 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.435 7.286 15.856 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.938 5.726 17.304 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.069 4.703 13.220 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.185 3.451 17.064 1.00 0.00 H new ATOM 800 N VAL O 3 -3.727 4.895 12.809 1.00 0.00 N ATOM 801 CA VAL O 3 -4.521 3.665 12.790 1.00 0.00 C ATOM 802 C VAL O 3 -3.584 2.467 12.737 1.00 0.00 C ATOM 803 O VAL O 3 -2.798 2.345 11.797 1.00 0.00 O ATOM 804 CB VAL O 3 -5.440 3.667 11.559 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.337 2.416 11.556 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.310 4.934 11.572 1.00 0.00 C ATOM 0 H VAL O 3 -3.149 5.039 11.981 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.133 3.606 13.690 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.826 3.655 10.658 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.982 2.433 10.677 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.714 1.522 11.532 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.951 2.406 12.457 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.962 4.936 10.699 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.916 4.950 12.478 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.669 5.816 11.549 1.00 0.00 H new ATOM 816 N HIS O 4 -3.685 1.567 13.715 1.00 0.00 N ATOM 817 CA HIS O 4 -2.868 0.382 13.729 1.00 0.00 C ATOM 818 C HIS O 4 -3.724 -0.876 13.663 1.00 0.00 C ATOM 819 O HIS O 4 -4.685 -1.022 14.419 1.00 0.00 O ATOM 820 CB HIS O 4 -1.981 0.414 14.988 1.00 0.00 C ATOM 821 CG HIS O 4 -0.781 -0.468 14.790 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.541 0.009 14.721 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.702 -1.809 14.649 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.338 -1.058 14.545 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.632 -2.193 14.498 1.00 0.00 N ATOM 0 H HIS O 4 -4.328 1.648 14.502 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.229 0.361 12.847 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.662 1.436 15.193 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.551 0.078 15.854 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.545 -2.484 14.653 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.413 -1.006 14.453 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.992 -3.140 14.377 1.00 0.00 H new ATOM 833 N LEU O 5 -3.369 -1.795 12.761 1.00 0.00 N ATOM 834 CA LEU O 5 -4.116 -3.047 12.624 1.00 0.00 C ATOM 835 C LEU O 5 -3.142 -4.213 12.465 1.00 0.00 C ATOM 836 O LEU O 5 -2.450 -4.331 11.449 1.00 0.00 O ATOM 837 CB LEU O 5 -5.063 -2.949 11.404 1.00 0.00 C ATOM 838 CG LEU O 5 -6.474 -3.488 11.729 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.399 -4.838 12.475 1.00 0.00 C ATOM 840 CD2 LEU O 5 -7.252 -2.444 12.559 1.00 0.00 C ATOM 0 H LEU O 5 -2.579 -1.698 12.123 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.715 -3.220 13.518 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.136 -1.910 11.083 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.642 -3.512 10.571 1.00 0.00 H new ATOM 0 HG LEU O 5 -7.003 -3.662 10.792 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.407 -5.192 12.690 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.883 -5.569 11.853 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -5.854 -4.707 13.410 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -8.247 -2.828 12.786 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.718 -2.247 13.489 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -7.341 -1.519 11.989 1.00 0.00 H new ATOM 852 N GLN O 6 -3.105 -5.079 13.474 1.00 0.00 N ATOM 853 CA GLN O 6 -2.232 -6.251 13.446 1.00 0.00 C ATOM 854 C GLN O 6 -3.097 -7.500 13.348 1.00 0.00 C ATOM 855 O GLN O 6 -3.856 -7.814 14.265 1.00 0.00 O ATOM 856 CB GLN O 6 -1.374 -6.287 14.718 1.00 0.00 C ATOM 857 CG GLN O 6 -0.403 -7.471 14.658 1.00 0.00 C ATOM 858 CD GLN O 6 0.393 -7.570 15.958 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.186 -7.706 17.035 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.698 -7.517 15.917 1.00 0.00 N ATOM 0 H GLN O 6 -3.668 -4.992 14.320 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.566 -6.205 12.585 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -0.819 -5.355 14.819 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.014 -6.374 15.596 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -0.956 -8.395 14.491 1.00 0.00 H new ATOM 0 HG3 GLN O 6 0.278 -7.350 13.815 1.00 0.00 H new ATOM 0 HE21 GLN O 6 2.176 -7.404 15.023 1.00 0.00 H new ATOM 0 HE22 GLN O 6 2.239 -7.588 16.779 1.00 0.00 H new ATOM 869 N ILE O 7 -2.993 -8.197 12.218 1.00 0.00 N ATOM 870 CA ILE O 7 -3.788 -9.404 11.985 1.00 0.00 C ATOM 871 C ILE O 7 -2.874 -10.572 11.622 1.00 0.00 C ATOM 872 O ILE O 7 -3.211 -11.693 11.968 1.00 0.00 O ATOM 873 CB ILE O 7 -4.802 -9.158 10.846 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.375 -7.740 10.946 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.946 -10.172 10.954 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.294 -7.483 9.752 1.00 0.00 C ATOM 877 OXT ILE O 7 -1.849 -10.327 11.008 1.00 0.00 O ATOM 0 H ILE O 7 -2.368 -7.949 11.451 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.331 -9.649 12.898 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.293 -9.272 9.889 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -5.929 -7.624 11.878 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.567 -7.009 10.962 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.662 -9.999 10.151 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.546 -11.182 10.872 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.445 -10.056 11.916 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.704 -6.475 9.819 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.726 -7.583 8.827 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.109 -8.207 9.757 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.621 11.639 8.524 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.291 10.375 8.938 1.00 0.00 C ATOM 892 C ILE Q 1 -1.338 9.204 8.724 1.00 0.00 C ATOM 893 O ILE Q 1 -0.780 9.022 7.634 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.572 10.185 8.109 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.517 11.355 8.406 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.247 8.874 8.502 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.683 11.346 7.419 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.775 12.367 9.250 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.601 11.471 8.413 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -2.019 11.963 7.619 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.558 10.422 9.994 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.330 10.155 7.047 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.893 11.280 9.426 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.976 12.298 8.334 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -5.155 8.741 7.913 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.567 8.044 8.312 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.502 8.899 9.561 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.350 12.180 7.636 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.300 11.443 6.403 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -6.232 10.409 7.513 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.148 8.400 9.772 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.267 7.236 9.672 1.00 0.00 C ATOM 913 C HIS Q 2 -1.109 5.966 9.736 1.00 0.00 C ATOM 914 O HIS Q 2 -1.841 5.750 10.702 1.00 0.00 O ATOM 915 CB HIS Q 2 0.747 7.246 10.842 1.00 0.00 C ATOM 916 CG HIS Q 2 1.975 8.049 10.480 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.241 7.479 10.431 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.152 9.373 10.155 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.109 8.448 10.087 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.497 9.620 9.907 1.00 0.00 N ATOM 0 H HIS Q 2 -1.584 8.530 10.685 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.277 7.270 8.728 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.279 7.669 11.731 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.035 6.224 11.089 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.365 10.110 10.101 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.172 8.296 9.971 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.925 10.508 9.644 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.970 5.110 8.724 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.691 3.838 8.699 1.00 0.00 C ATOM 930 C VAL Q 3 -0.689 2.695 8.784 1.00 0.00 C ATOM 931 O VAL Q 3 0.219 2.604 7.954 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.499 3.720 7.402 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.236 2.378 7.388 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.518 4.866 7.314 1.00 0.00 C ATOM 0 H VAL Q 3 -0.369 5.272 7.916 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.375 3.792 9.547 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.823 3.778 6.549 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.812 2.289 6.467 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.512 1.565 7.443 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.909 2.323 8.244 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.088 4.775 6.390 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.197 4.816 8.166 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.993 5.821 7.324 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.867 1.805 9.758 1.00 0.00 N ATOM 945 CA HIS Q 4 0.027 0.651 9.903 1.00 0.00 C ATOM 946 C HIS Q 4 -0.791 -0.627 9.731 1.00 0.00 C ATOM 947 O HIS Q 4 -1.832 -0.791 10.374 1.00 0.00 O ATOM 948 CB HIS Q 4 0.713 0.680 11.297 1.00 0.00 C ATOM 949 CG HIS Q 4 1.499 1.977 11.523 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.550 2.616 12.771 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.266 2.768 10.684 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.309 3.721 12.636 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.768 3.863 11.389 1.00 0.00 N ATOM 0 H HIS Q 4 -1.612 1.856 10.453 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.807 0.686 9.143 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 -0.043 0.574 12.075 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.386 -0.172 11.388 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.094 2.301 13.627 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.449 2.567 9.639 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.521 4.410 13.440 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.331 -1.533 8.863 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.060 -2.783 8.619 1.00 0.00 C ATOM 962 C LEU Q 5 -0.079 -3.949 8.531 1.00 0.00 C ATOM 963 O LEU Q 5 0.789 -3.985 7.649 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.846 -2.636 7.304 1.00 0.00 C ATOM 965 CG LEU Q 5 -3.230 -3.319 7.362 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.156 -4.698 8.034 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -4.225 -2.413 8.105 1.00 0.00 C ATOM 0 H LEU Q 5 0.529 -1.428 8.325 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.750 -2.984 9.438 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.976 -1.577 7.079 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -1.266 -3.067 6.488 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.574 -3.474 6.339 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -4.149 -5.146 8.056 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.480 -5.341 7.471 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.786 -4.587 9.053 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -5.200 -2.898 8.144 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.868 -2.235 9.119 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -4.314 -1.462 7.580 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.235 -4.909 9.438 1.00 0.00 N ATOM 980 CA GLN Q 6 0.624 -6.090 9.450 1.00 0.00 C ATOM 981 C GLN Q 6 -0.240 -7.328 9.280 1.00 0.00 C ATOM 982 O GLN Q 6 -1.038 -7.667 10.153 1.00 0.00 O ATOM 983 CB GLN Q 6 1.398 -6.149 10.772 1.00 0.00 C ATOM 984 CG GLN Q 6 2.399 -7.306 10.729 1.00 0.00 C ATOM 985 CD GLN Q 6 3.119 -7.432 12.068 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.487 -7.430 13.123 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.421 -7.533 12.086 1.00 0.00 N ATOM 0 H GLN Q 6 -0.944 -4.893 10.171 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.343 -6.041 8.632 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.921 -5.208 10.941 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.707 -6.283 11.604 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.880 -8.236 10.498 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.124 -7.139 9.933 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.945 -7.535 11.211 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.914 -7.610 12.975 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.089 -7.996 8.135 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.875 -9.193 7.836 1.00 0.00 C ATOM 998 C ILE Q 7 0.040 -10.411 7.743 1.00 0.00 C ATOM 999 O ILE Q 7 0.881 -10.431 6.859 1.00 0.00 O ATOM 1000 CB ILE Q 7 -1.631 -9.009 6.506 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.189 -7.585 6.407 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.790 -10.003 6.443 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.918 -7.416 5.071 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.114 -11.306 8.559 1.00 0.00 O ATOM 0 H ILE Q 7 0.568 -7.729 7.402 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.596 -9.349 8.639 1.00 0.00 H new ATOM 0 HB ILE Q 7 -0.942 -9.183 5.680 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -2.873 -7.392 7.234 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.380 -6.859 6.487 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.328 -9.876 5.503 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.401 -11.019 6.504 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.469 -9.823 7.277 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.316 -6.404 4.999 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -2.221 -7.591 4.251 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.737 -8.133 5.010 1.00 0.00 H new ATOM 1017 N ILE S 1 1.649 11.550 4.868 1.00 0.00 N ATOM 1018 CA ILE S 1 0.895 10.295 5.146 1.00 0.00 C ATOM 1019 C ILE S 1 1.825 9.099 4.998 1.00 0.00 C ATOM 1020 O ILE S 1 2.513 8.956 3.983 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.268 10.177 4.160 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.259 11.311 4.426 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.965 8.827 4.340 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.288 11.360 3.301 1.00 0.00 C ATOM 0 H1 ILE S 1 1.220 12.337 5.395 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.639 11.433 5.165 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.615 11.757 3.849 1.00 0.00 H new ATOM 0 HA ILE S 1 0.504 10.318 6.163 1.00 0.00 H new ATOM 0 HB ILE S 1 0.106 10.247 3.139 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.757 11.156 5.383 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.731 12.262 4.492 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.793 8.748 3.635 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.253 8.022 4.155 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.346 8.747 5.358 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.995 12.168 3.489 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.781 11.535 2.352 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.824 10.412 3.257 1.00 0.00 H new ATOM 1038 N HIS S 2 1.834 8.231 6.012 1.00 0.00 N ATOM 1039 CA HIS S 2 2.671 7.053 5.971 1.00 0.00 C ATOM 1040 C HIS S 2 1.792 5.813 5.900 1.00 0.00 C ATOM 1041 O HIS S 2 0.967 5.586 6.784 1.00 0.00 O ATOM 1042 CB HIS S 2 3.483 7.037 7.281 1.00 0.00 C ATOM 1043 CG HIS S 2 4.144 5.703 7.498 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.391 5.170 8.773 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.651 4.802 6.613 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.025 4.004 8.603 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.215 3.725 7.315 1.00 0.00 N ATOM 0 H HIS S 2 1.274 8.329 6.859 1.00 0.00 H new ATOM 0 HA HIS S 2 3.329 7.064 5.102 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.241 7.820 7.251 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.826 7.261 8.121 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.134 5.594 9.665 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.624 4.900 5.538 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.344 3.366 9.413 1.00 0.00 H new ATOM 1054 N VAL S 3 1.997 4.993 4.868 1.00 0.00 N ATOM 1055 CA VAL S 3 1.235 3.753 4.729 1.00 0.00 C ATOM 1056 C VAL S 3 2.191 2.572 4.781 1.00 0.00 C ATOM 1057 O VAL S 3 3.086 2.474 3.940 1.00 0.00 O ATOM 1058 CB VAL S 3 0.497 3.754 3.386 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.371 2.486 3.251 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.386 5.008 3.291 1.00 0.00 C ATOM 0 H VAL S 3 2.675 5.162 4.125 1.00 0.00 H new ATOM 0 HA VAL S 3 0.510 3.675 5.539 1.00 0.00 H new ATOM 0 HB VAL S 3 1.227 3.761 2.577 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.889 2.500 2.292 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.265 1.602 3.307 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.103 2.458 4.059 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.912 5.011 2.336 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.111 5.005 4.105 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.238 5.899 3.364 1.00 0.00 H new ATOM 1070 N HIS S 4 1.987 1.655 5.729 1.00 0.00 N ATOM 1071 CA HIS S 4 2.814 0.484 5.813 1.00 0.00 C ATOM 1072 C HIS S 4 1.990 -0.781 5.630 1.00 0.00 C ATOM 1073 O HIS S 4 0.958 -0.964 6.282 1.00 0.00 O ATOM 1074 CB HIS S 4 3.552 0.503 7.164 1.00 0.00 C ATOM 1075 CG HIS S 4 4.771 -0.371 7.090 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.093 0.113 7.128 1.00 0.00 N ATOM 1077 CD2 HIS S 4 4.869 -1.715 6.989 1.00 0.00 C ATOM 1078 CE1 HIS S 4 6.907 -0.951 7.055 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.215 -2.093 6.972 1.00 0.00 N ATOM 0 H HIS S 4 1.257 1.714 6.438 1.00 0.00 H new ATOM 0 HA HIS S 4 3.549 0.489 5.008 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.840 1.523 7.417 1.00 0.00 H new ATOM 0 HB3 HIS S 4 2.890 0.153 7.956 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.032 -2.396 6.930 1.00 0.00 H new ATOM 0 HE1 HIS S 4 7.985 -0.893 7.062 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.590 -3.039 6.910 1.00 0.00 H new ATOM 1087 N LEU S 5 2.456 -1.662 4.743 1.00 0.00 N ATOM 1088 CA LEU S 5 1.755 -2.919 4.483 1.00 0.00 C ATOM 1089 C LEU S 5 2.756 -4.070 4.447 1.00 0.00 C ATOM 1090 O LEU S 5 3.580 -4.157 3.532 1.00 0.00 O ATOM 1091 CB LEU S 5 1.017 -2.806 3.131 1.00 0.00 C ATOM 1092 CG LEU S 5 -0.408 -3.387 3.201 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.425 -4.754 3.921 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -1.342 -2.376 3.900 1.00 0.00 C ATOM 0 H LEU S 5 3.308 -1.530 4.198 1.00 0.00 H new ATOM 0 HA LEU S 5 1.033 -3.115 5.275 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.967 -1.759 2.831 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.585 -3.331 2.363 1.00 0.00 H new ATOM 0 HG LEU S 5 -0.767 -3.558 2.186 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -1.445 -5.136 3.953 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.209 -5.457 3.381 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.050 -4.634 4.938 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -2.350 -2.787 3.950 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.979 -2.183 4.909 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -1.357 -1.444 3.335 1.00 0.00 H new ATOM 1106 N GLN S 6 2.667 -4.963 5.431 1.00 0.00 N ATOM 1107 CA GLN S 6 3.559 -6.123 5.482 1.00 0.00 C ATOM 1108 C GLN S 6 2.737 -7.386 5.269 1.00 0.00 C ATOM 1109 O GLN S 6 1.859 -7.711 6.067 1.00 0.00 O ATOM 1110 CB GLN S 6 4.285 -6.168 6.832 1.00 0.00 C ATOM 1111 CG GLN S 6 5.293 -7.321 6.838 1.00 0.00 C ATOM 1112 CD GLN S 6 5.969 -7.429 8.201 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.299 -7.550 9.228 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.273 -7.413 8.267 1.00 0.00 N ATOM 0 H GLN S 6 1.995 -4.909 6.196 1.00 0.00 H new ATOM 0 HA GLN S 6 4.311 -6.048 4.697 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.798 -5.223 7.012 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.564 -6.298 7.639 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.786 -8.257 6.601 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.044 -7.160 6.064 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.826 -7.313 7.416 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.739 -7.501 9.170 1.00 0.00 H new ATOM 1123 N ILE S 7 3.010 -8.081 4.163 1.00 0.00 N ATOM 1124 CA ILE S 7 2.272 -9.298 3.822 1.00 0.00 C ATOM 1125 C ILE S 7 3.248 -10.442 3.548 1.00 0.00 C ATOM 1126 O ILE S 7 2.888 -11.578 3.811 1.00 0.00 O ATOM 1127 CB ILE S 7 1.399 -9.052 2.567 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.819 -7.630 2.601 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.253 -10.070 2.538 1.00 0.00 C ATOM 1130 CD1 ILE S 7 0.066 -7.352 1.299 1.00 0.00 C ATOM 1131 OXT ILE S 7 4.341 -10.165 3.083 1.00 0.00 O ATOM 0 H ILE S 7 3.733 -7.823 3.491 1.00 0.00 H new ATOM 0 HA ILE S 7 1.630 -9.566 4.661 1.00 0.00 H new ATOM 0 HB ILE S 7 2.015 -9.165 1.675 1.00 0.00 H new ATOM 0 HG12 ILE S 7 0.147 -7.521 3.452 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.620 -6.903 2.732 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.363 -9.899 1.655 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.664 -11.079 2.504 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.357 -9.957 3.434 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.345 -6.343 1.325 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.751 -7.444 0.456 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.745 -8.071 1.187 1.00 0.00 H new ATOM 1144 N ILE U 1 4.223 11.784 0.596 1.00 0.00 N ATOM 1145 CA ILE U 1 3.532 10.515 0.958 1.00 0.00 C ATOM 1146 C ILE U 1 4.502 9.351 0.796 1.00 0.00 C ATOM 1147 O ILE U 1 5.099 9.164 -0.274 1.00 0.00 O ATOM 1148 CB ILE U 1 2.313 10.322 0.044 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.347 11.487 0.279 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.618 9.003 0.386 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.257 11.484 -0.791 1.00 0.00 C ATOM 0 H1 ILE U 1 3.829 12.566 1.157 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.240 11.694 0.794 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.083 11.979 -0.416 1.00 0.00 H new ATOM 0 HA ILE U 1 3.196 10.556 1.994 1.00 0.00 H new ATOM 0 HB ILE U 1 2.626 10.296 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.897 11.404 1.268 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.890 12.432 0.254 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.753 8.868 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.314 8.177 0.240 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.291 9.023 1.426 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.426 12.315 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.713 11.589 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.295 10.545 -0.745 1.00 0.00 H new ATOM 1165 N HIS U 2 4.659 8.559 1.861 1.00 0.00 N ATOM 1166 CA HIS U 2 5.554 7.402 1.803 1.00 0.00 C ATOM 1167 C HIS U 2 4.727 6.122 1.831 1.00 0.00 C ATOM 1168 O HIS U 2 3.948 5.896 2.759 1.00 0.00 O ATOM 1169 CB HIS U 2 6.517 7.419 3.014 1.00 0.00 C ATOM 1170 CG HIS U 2 7.759 8.221 2.702 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.025 7.646 2.674 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.951 9.553 2.421 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.906 8.620 2.385 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.306 9.801 2.222 1.00 0.00 N ATOM 0 H HIS U 2 4.188 8.694 2.756 1.00 0.00 H new ATOM 0 HA HIS U 2 6.136 7.444 0.882 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.011 7.846 3.880 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.795 6.398 3.278 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.168 10.295 2.363 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.971 8.465 2.296 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.746 10.694 1.999 1.00 0.00 H new ATOM 1182 N VAL U 3 4.933 5.273 0.829 1.00 0.00 N ATOM 1183 CA VAL U 3 4.236 3.992 0.757 1.00 0.00 C ATOM 1184 C VAL U 3 5.248 2.862 0.889 1.00 0.00 C ATOM 1185 O VAL U 3 6.200 2.790 0.107 1.00 0.00 O ATOM 1186 CB VAL U 3 3.513 3.871 -0.587 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.796 2.523 -0.656 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.489 5.005 -0.734 1.00 0.00 C ATOM 0 H VAL U 3 5.576 5.448 0.057 1.00 0.00 H new ATOM 0 HA VAL U 3 3.507 3.931 1.565 1.00 0.00 H new ATOM 0 HB VAL U 3 4.241 3.941 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.280 2.434 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.525 1.718 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.071 2.454 0.155 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.979 4.912 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.759 4.943 0.073 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.001 5.966 -0.687 1.00 0.00 H new ATOM 1198 N HIS U 4 5.029 1.960 1.845 1.00 0.00 N ATOM 1199 CA HIS U 4 5.931 0.817 2.025 1.00 0.00 C ATOM 1200 C HIS U 4 5.140 -0.470 1.792 1.00 0.00 C ATOM 1201 O HIS U 4 4.071 -0.658 2.380 1.00 0.00 O ATOM 1202 CB HIS U 4 6.535 0.837 3.457 1.00 0.00 C ATOM 1203 CG HIS U 4 7.291 2.141 3.737 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.266 2.775 4.989 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.093 2.944 2.945 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.017 3.889 4.899 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.542 4.041 3.679 1.00 0.00 N ATOM 0 H HIS U 4 4.247 1.994 2.499 1.00 0.00 H new ATOM 0 HA HIS U 4 6.753 0.872 1.311 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.737 0.715 4.190 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.212 -0.009 3.578 1.00 0.00 H new ATOM 0 HD1 HIS U 4 6.768 2.450 5.818 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.335 2.750 1.911 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.176 4.578 5.715 1.00 0.00 H new ATOM 1214 N LEU U 5 5.658 -1.353 0.932 1.00 0.00 N ATOM 1215 CA LEU U 5 4.963 -2.610 0.628 1.00 0.00 C ATOM 1216 C LEU U 5 5.957 -3.767 0.606 1.00 0.00 C ATOM 1217 O LEU U 5 6.876 -3.798 -0.219 1.00 0.00 O ATOM 1218 CB LEU U 5 4.278 -2.461 -0.744 1.00 0.00 C ATOM 1219 CG LEU U 5 2.908 -3.168 -0.799 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.970 -4.563 -0.153 1.00 0.00 C ATOM 1221 CD2 LEU U 5 1.845 -2.294 -0.107 1.00 0.00 C ATOM 0 H LEU U 5 6.542 -1.225 0.440 1.00 0.00 H new ATOM 0 HA LEU U 5 4.217 -2.823 1.393 1.00 0.00 H new ATOM 0 HB2 LEU U 5 4.146 -1.402 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU U 5 4.927 -2.872 -1.517 1.00 0.00 H new ATOM 0 HG LEU U 5 2.633 -3.306 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU U 5 1.988 -5.034 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.698 -5.177 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.268 -4.468 0.891 1.00 0.00 H new ATOM 0 HD21 LEU U 5 0.878 -2.796 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.127 -2.133 0.934 1.00 0.00 H new ATOM 0 HD23 LEU U 5 1.776 -1.333 -0.617 1.00 0.00 H new ATOM 1233 N GLN U 6 5.751 -4.729 1.502 1.00 0.00 N ATOM 1234 CA GLN U 6 6.617 -5.904 1.572 1.00 0.00 C ATOM 1235 C GLN U 6 5.780 -7.155 1.351 1.00 0.00 C ATOM 1236 O GLN U 6 4.949 -7.512 2.186 1.00 0.00 O ATOM 1237 CB GLN U 6 7.313 -5.949 2.937 1.00 0.00 C ATOM 1238 CG GLN U 6 8.313 -7.106 2.964 1.00 0.00 C ATOM 1239 CD GLN U 6 8.966 -7.222 4.339 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.283 -7.214 5.370 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.268 -7.319 4.411 1.00 0.00 N ATOM 0 H GLN U 6 4.995 -4.719 2.187 1.00 0.00 H new ATOM 0 HA GLN U 6 7.382 -5.851 0.797 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.827 -5.006 3.126 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.575 -6.074 3.729 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.805 -8.038 2.717 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.079 -6.949 2.204 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.827 -7.325 3.558 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.725 -7.389 5.320 1.00 0.00 H new ATOM 1250 N ILE U 7 5.996 -7.814 0.209 1.00 0.00 N ATOM 1251 CA ILE U 7 5.246 -9.024 -0.132 1.00 0.00 C ATOM 1252 C ILE U 7 6.177 -10.234 -0.153 1.00 0.00 C ATOM 1253 O ILE U 7 7.076 -10.251 -0.977 1.00 0.00 O ATOM 1254 CB ILE U 7 4.574 -8.864 -1.510 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.028 -7.439 -1.664 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.418 -9.859 -1.627 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.368 -7.288 -3.038 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.977 -11.125 0.656 1.00 0.00 O ATOM 0 H ILE U 7 6.681 -7.531 -0.492 1.00 0.00 H new ATOM 0 HA ILE U 7 4.477 -9.179 0.625 1.00 0.00 H new ATOM 0 HB ILE U 7 5.310 -9.054 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE U 7 3.304 -7.229 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.836 -6.715 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.940 -9.749 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.800 -10.875 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.689 -9.664 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.980 -6.275 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE U 7 4.104 -7.480 -3.818 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.549 -8.001 -3.129 1.00 0.00 H new ATOM 1271 N ILE W 1 7.550 11.753 -3.016 1.00 0.00 N ATOM 1272 CA ILE W 1 6.787 10.495 -2.768 1.00 0.00 C ATOM 1273 C ILE W 1 7.727 9.307 -2.868 1.00 0.00 C ATOM 1274 O ILE W 1 8.457 9.167 -3.851 1.00 0.00 O ATOM 1275 CB ILE W 1 5.681 10.360 -3.815 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.685 11.503 -3.626 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.971 9.016 -3.641 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.731 11.533 -4.812 1.00 0.00 C ATOM 0 H1 ILE W 1 7.075 12.547 -2.540 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.515 11.653 -2.642 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.592 11.938 -4.039 1.00 0.00 H new ATOM 0 HA ILE W 1 6.345 10.525 -1.772 1.00 0.00 H new ATOM 0 HB ILE W 1 6.108 10.406 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.128 11.367 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.214 12.453 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.183 8.921 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.689 8.206 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.534 8.962 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.017 12.347 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.297 11.688 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.195 10.586 -4.872 1.00 0.00 H new ATOM 1292 N HIS W 2 7.698 8.437 -1.857 1.00 0.00 N ATOM 1293 CA HIS W 2 8.543 7.262 -1.868 1.00 0.00 C ATOM 1294 C HIS W 2 7.676 6.017 -1.983 1.00 0.00 C ATOM 1295 O HIS W 2 6.814 5.779 -1.140 1.00 0.00 O ATOM 1296 CB HIS W 2 9.312 7.226 -0.529 1.00 0.00 C ATOM 1297 CG HIS W 2 10.001 5.900 -0.356 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.266 5.326 0.897 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.509 5.038 -1.277 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.911 4.170 0.677 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.089 3.943 -0.627 1.00 0.00 N ATOM 0 H HIS W 2 7.103 8.529 -1.034 1.00 0.00 H new ATOM 0 HA HIS W 2 9.234 7.293 -2.710 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.046 8.031 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.623 7.396 0.298 1.00 0.00 H new ATOM 0 HD1 HIS W 2 10.015 5.715 1.806 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.471 5.177 -2.347 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.245 3.504 1.459 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.550 3.141 -1.058 1.00 0.00 H new ATOM 1308 N VAL W 3 7.933 5.202 -3.006 1.00 0.00 N ATOM 1309 CA VAL W 3 7.190 3.957 -3.181 1.00 0.00 C ATOM 1310 C VAL W 3 8.152 2.786 -3.083 1.00 0.00 C ATOM 1311 O VAL W 3 9.085 2.698 -3.883 1.00 0.00 O ATOM 1312 CB VAL W 3 6.523 3.942 -4.563 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.672 2.669 -4.730 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.639 5.188 -4.727 1.00 0.00 C ATOM 0 H VAL W 3 8.642 5.379 -3.718 1.00 0.00 H new ATOM 0 HA VAL W 3 6.426 3.880 -2.408 1.00 0.00 H new ATOM 0 HB VAL W 3 7.298 3.948 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.204 2.671 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.309 1.790 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.900 2.644 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL W 3 5.168 5.173 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.869 5.192 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.252 6.084 -4.633 1.00 0.00 H new ATOM 1324 N HIS W 4 7.913 1.861 -2.149 1.00 0.00 N ATOM 1325 CA HIS W 4 8.750 0.699 -2.037 1.00 0.00 C ATOM 1326 C HIS W 4 7.955 -0.575 -2.270 1.00 0.00 C ATOM 1327 O HIS W 4 6.902 -0.785 -1.660 1.00 0.00 O ATOM 1328 CB HIS W 4 9.436 0.717 -0.658 1.00 0.00 C ATOM 1329 CG HIS W 4 10.658 -0.159 -0.685 1.00 0.00 C ATOM 1330 ND1 HIS W 4 11.978 0.322 -0.570 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.759 -1.500 -0.801 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.792 -0.744 -0.621 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.102 -1.882 -0.758 1.00 0.00 N ATOM 0 H HIS W 4 7.151 1.907 -1.473 1.00 0.00 H new ATOM 0 HA HIS W 4 9.519 0.720 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.714 1.737 -0.394 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.743 0.367 0.107 1.00 0.00 H new ATOM 0 HD2 HIS W 4 9.925 -2.177 -0.911 1.00 0.00 H new ATOM 0 HE1 HIS W 4 13.869 -0.690 -0.559 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.477 -2.829 -0.818 1.00 0.00 H new ATOM 1341 N LEU W 5 8.474 -1.438 -3.151 1.00 0.00 N ATOM 1342 CA LEU W 5 7.807 -2.705 -3.459 1.00 0.00 C ATOM 1343 C LEU W 5 8.821 -3.844 -3.453 1.00 0.00 C ATOM 1344 O LEU W 5 9.682 -3.930 -4.335 1.00 0.00 O ATOM 1345 CB LEU W 5 7.131 -2.599 -4.847 1.00 0.00 C ATOM 1346 CG LEU W 5 5.705 -3.186 -4.833 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.668 -4.553 -4.114 1.00 0.00 C ATOM 1348 CD2 LEU W 5 4.744 -2.177 -4.165 1.00 0.00 C ATOM 0 H LEU W 5 9.345 -1.283 -3.658 1.00 0.00 H new ATOM 0 HA LEU W 5 7.050 -2.912 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU W 5 7.091 -1.554 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.734 -3.126 -5.587 1.00 0.00 H new ATOM 0 HG LEU W 5 5.383 -3.358 -5.860 1.00 0.00 H new ATOM 0 HD11 LEU W 5 4.649 -4.940 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.326 -5.253 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU W 5 6.003 -4.431 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU W 5 3.735 -2.589 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.070 -1.986 -3.143 1.00 0.00 H new ATOM 0 HD23 LEU W 5 4.748 -1.243 -4.727 1.00 0.00 H new ATOM 1360 N GLN W 6 8.695 -4.734 -2.469 1.00 0.00 N ATOM 1361 CA GLN W 6 9.585 -5.890 -2.373 1.00 0.00 C ATOM 1362 C GLN W 6 8.780 -7.156 -2.619 1.00 0.00 C ATOM 1363 O GLN W 6 7.853 -7.470 -1.873 1.00 0.00 O ATOM 1364 CB GLN W 6 10.262 -5.921 -0.995 1.00 0.00 C ATOM 1365 CG GLN W 6 11.239 -7.098 -0.933 1.00 0.00 C ATOM 1366 CD GLN W 6 11.891 -7.197 0.444 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.211 -7.349 1.464 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.194 -7.121 0.529 1.00 0.00 N ATOM 0 H GLN W 6 7.991 -4.678 -1.733 1.00 0.00 H new ATOM 0 HA GLN W 6 10.369 -5.820 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.792 -4.985 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.511 -6.016 -0.211 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.711 -8.025 -1.157 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.008 -6.977 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.754 -6.996 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.650 -7.187 1.439 1.00 0.00 H new ATOM 1377 N ILE W 7 9.126 -7.868 -3.693 1.00 0.00 N ATOM 1378 CA ILE W 7 8.413 -9.090 -4.063 1.00 0.00 C ATOM 1379 C ILE W 7 9.407 -10.226 -4.305 1.00 0.00 C ATOM 1380 O ILE W 7 9.045 -11.366 -4.062 1.00 0.00 O ATOM 1381 CB ILE W 7 7.576 -8.848 -5.343 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.991 -7.429 -5.325 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.439 -9.874 -5.408 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.275 -7.151 -6.648 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.514 -9.938 -4.728 1.00 0.00 O ATOM 0 H ILE W 7 9.892 -7.620 -4.319 1.00 0.00 H new ATOM 0 HA ILE W 7 7.747 -9.368 -3.246 1.00 0.00 H new ATOM 0 HB ILE W 7 8.216 -8.957 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE W 7 6.294 -7.323 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.786 -6.699 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.848 -9.706 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.858 -10.880 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.802 -9.767 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.861 -6.143 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.984 -7.239 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.469 -7.872 -6.784 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.961 11.920 -7.237 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.263 10.635 -6.950 1.00 0.00 C ATOM 1400 C ILE Y 1 10.254 9.488 -7.078 1.00 0.00 C ATOM 1401 O ILE Y 1 10.848 9.292 -8.139 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.119 10.441 -7.955 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.117 11.587 -7.782 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.422 9.111 -7.686 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.112 11.572 -8.933 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.679 12.633 -6.534 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.990 11.774 -7.189 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.702 12.251 -8.188 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.856 10.655 -5.939 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.513 10.438 -8.971 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.596 11.486 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.643 12.542 -7.758 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.610 8.975 -8.400 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.139 8.297 -7.792 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.018 9.110 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.401 12.389 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.640 11.694 -9.879 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.577 10.622 -8.936 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.421 8.716 -6.002 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.338 7.576 -6.033 1.00 0.00 C ATOM 1421 C HIS Y 2 10.532 6.284 -6.053 1.00 0.00 C ATOM 1422 O HIS Y 2 9.712 6.039 -5.168 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.237 7.587 -4.774 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.487 8.396 -5.013 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.752 7.823 -4.984 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.683 9.731 -5.265 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.644 8.806 -5.213 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.045 9.987 -5.391 1.00 0.00 N ATOM 0 H HIS Y 2 9.942 8.856 -5.112 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.961 7.644 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.685 8.004 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.506 6.565 -4.505 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.900 10.470 -5.352 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.713 8.658 -5.248 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.491 10.885 -5.579 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.799 5.448 -7.051 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.127 4.159 -7.167 1.00 0.00 C ATOM 1438 C VAL Y 3 11.152 3.041 -6.990 1.00 0.00 C ATOM 1439 O VAL Y 3 12.143 2.993 -7.718 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.476 4.048 -8.553 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.779 2.694 -8.683 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.448 5.173 -8.749 1.00 0.00 C ATOM 0 H VAL Y 3 11.475 5.640 -7.790 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.358 4.073 -6.399 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.250 4.138 -9.315 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.317 2.616 -9.667 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.510 1.895 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.012 2.604 -7.914 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.994 5.083 -9.736 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.674 5.096 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.946 6.139 -8.666 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.904 2.122 -6.051 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.822 0.990 -5.839 1.00 0.00 C ATOM 1454 C HIS Y 4 11.069 -0.306 -6.125 1.00 0.00 C ATOM 1455 O HIS Y 4 9.968 -0.520 -5.607 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.370 0.985 -4.385 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.073 2.296 -4.030 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 12.973 2.880 -2.758 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.896 3.139 -4.754 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.708 4.010 -2.772 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.289 4.215 -3.959 1.00 0.00 N ATOM 0 H HIS Y 4 10.092 2.135 -5.434 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.674 1.084 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.548 0.815 -3.689 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.067 0.156 -4.264 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.190 2.987 -5.782 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.815 4.671 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 14.892 4.993 -4.226 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.655 -1.172 -6.954 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.008 -2.440 -7.310 1.00 0.00 C ATOM 1470 C LEU Y 5 12.023 -3.577 -7.275 1.00 0.00 C ATOM 1471 O LEU Y 5 13.006 -3.567 -8.015 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.399 -2.296 -8.726 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.040 -3.017 -8.851 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.091 -4.418 -8.212 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 7.937 -2.160 -8.196 1.00 0.00 C ATOM 0 H LEU Y 5 12.566 -1.023 -7.388 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.220 -2.673 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.271 -1.239 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.093 -2.702 -9.462 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.812 -3.147 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.119 -4.901 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.850 -5.019 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.340 -4.327 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 6.978 -2.671 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.171 -2.009 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 7.881 -1.194 -8.697 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.765 -4.566 -6.421 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.649 -5.726 -6.307 1.00 0.00 C ATOM 1489 C GLN Y 6 11.845 -6.994 -6.573 1.00 0.00 C ATOM 1490 O GLN Y 6 11.007 -7.389 -5.763 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.276 -5.761 -4.904 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.299 -6.900 -4.816 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.873 -7.001 -3.398 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.134 -6.994 -2.413 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.165 -7.085 -3.238 1.00 0.00 N ATOM 0 H GLN Y 6 10.956 -4.588 -5.801 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.453 -5.658 -7.040 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.760 -4.808 -4.689 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.499 -5.900 -4.153 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.826 -7.843 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.105 -6.728 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.780 -7.091 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.560 -7.145 -2.299 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.094 -7.619 -7.727 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.374 -8.838 -8.109 1.00 0.00 C ATOM 1506 C ILE Y 7 12.316 -10.040 -8.063 1.00 0.00 C ATOM 1507 O ILE Y 7 13.279 -10.044 -8.812 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.798 -8.692 -9.532 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.218 -7.288 -9.720 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.689 -9.725 -9.743 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.649 -7.158 -11.136 1.00 0.00 C ATOM 1512 OXT ILE Y 7 12.061 -10.938 -7.277 1.00 0.00 O ATOM 0 H ILE Y 7 12.784 -7.304 -8.409 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.556 -8.993 -7.405 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.597 -8.853 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 9.436 -7.104 -8.984 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.992 -6.538 -9.557 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.282 -9.622 -10.749 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.097 -10.728 -9.618 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.897 -9.562 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 9.235 -6.159 -11.272 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 10.443 -7.324 -11.864 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 8.863 -7.899 -11.282 1.00 0.00 H new